A new 3-D hybrid framework {[（dafone）PbI2]（dafone）2}n 1 （dafone = 4,5-diazafluoren-9-one） has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2/c with a = 24.109...A new 3-D hybrid framework {[（dafone）PbI2]（dafone）2}n 1 （dafone = 4,5-diazafluoren-9-one） has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2/c with a = 24.109（8）, b = 16.596（8）, c = 7.983（3）A, β = 91.590（15）°, V = 3193（2）A^3, Z = 4, C33H18I2N6O3Pb, Mr = 1007.53, Dc = 2.096 g/cm^3, F（000） = 1880, μ（MoKα） = 7.262 mm^-1, the final R = 0.0352 and wR = 0.0951 for 3198 observed reflections with I 〉 2σ（I）. In the [（dafone）PbI2]n chain, the Pb center adopts a distorted octahedral coordination geometry and shares an edge to give a one-dimensional polymer. The 3-D arrangement of 1 constructs from H-bonds among dafone molecules and π-π stacking interactions among dissociative dafone molecules. These weak interactions contribute to the stability of the title compound. DFT calculation was carried out to reveal its electronic structure.展开更多
The assembly reactions of o- （or m-, or p-） tetrafluorobenzenedicarboxylic acid （denoted as o-H2L, m-H2L and p-HzL, respectively）, benzonitrile and Ag＋ ion led to three compounds： [Ag2（PhCN）2（o-HL）2]n （1）,...The assembly reactions of o- （or m-, or p-） tetrafluorobenzenedicarboxylic acid （denoted as o-H2L, m-H2L and p-HzL, respectively）, benzonitrile and Ag＋ ion led to three compounds： [Ag2（PhCN）2（o-HL）2]n （1）, [Ag2（PhCN）2（m-HL）2]n （2） and [Ag2（PhCN）2（p-L）], （3）. 1 and 2 feature a 1D coordination chain, while 3 bears a 2D net structure. A variety of weak interactions are observed in the compounds. Strong nwrinteractions connect the 1D chains into a 3D supramolecular network in 1. Hydrogen bonds connect the chains into layers in 2. Three types of interesting π-π interactions also assemble the 2D layers into a 3D overall structure in 3.展开更多
The complexation between circular DNA and individual chains of PEO-b-P4VP with a relatively long PEO block and a short P4VP block is highly controllable when the interaction between DNA and the polymer is weak enough....The complexation between circular DNA and individual chains of PEO-b-P4VP with a relatively long PEO block and a short P4VP block is highly controllable when the interaction between DNA and the polymer is weak enough. When one circular DNA chain is taken into consideration, and the polymer concentration is far below its critical micelle concentration （CMC）, polymer chains are absorbed by DNA chain due to the interaction between the negatively charged DNA chain and the slightly positively charged P4VP block chains. After the adsorption/complexation, the DNA chain is converted into a nanoring （type 1）. In the nanoring, the DNA chain is sufficiently wrapped by the polymer and adopts a fully stretched conformation, so that the DNA compact ratio in the nanorings is close to 1. When the polymer concentration is close to but lower than the CMC, the free polymer chains in the solution are adsorbed not only by the DNA chain but also by the polymer chains that have already been adsorbed on the DNA chain. As a result, the circular DNA chain adsorbs more polymer chains, and thus the resultant nanoring （type 2） has a larger width. In the type 2 nanoring, the DNA chain is slightly compressed; the DNA compact ratio is only about 2-3. Therefore, complexation induced by the weak interaction between DNA and PEO-b-P4VP below the CMC can produce narrow-disperse and large nanorings with a perimeter of micrometers, which are difficult to prepare by existing methods.展开更多
The mononuclear complex [Ag(C6H6NCl)2](ClO() has been prepared and structurally analyzed by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group C2/c with unit cell paramete...The mononuclear complex [Ag(C6H6NCl)2](ClO() has been prepared and structurally analyzed by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group C2/c with unit cell parameters: a=15.5314(2), b=8.0247(8), c=15.3701(2)?.β=118.832(2)°, V=1678.2(3)?3, Z=4, Mr=462.46, Dc=1.830Mg/m3, F(000)=912, μ(MoKα) = 1.694cm-1. The final R and wR are 0.0472 and 0.1272 for 1484 observed reflections with I≥3σ(I). The Ag atom is coordinated by two nitrogen atoms of 4-chloromethyl-pyridine in a linear coordination geometry. Each molecule is further linked by the weak interaction between the Cl and Ag atoms to form a one-dimensional chain structure with Ag－Cl distance of 3.240?.展开更多
A new ion-pair complex, [BzMeQ1]2[Ni（nmt）2]1（[BzMeQ1]^＋ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate） has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction ...A new ion-pair complex, [BzMeQ1]2[Ni（nmt）2]1（[BzMeQ1]^＋ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate） has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction methods. Complex 1 is of triclinic, space group PI, with a = 9.079（2）, b = 10.154（2）, c = 11.243（2）A, α= 81.58（1）, β= 69.63（1）, γ = 68.02（1）°, V= 940.1（3）A3, Dc = 1.427 g/cm^3, Z = 1, F（000） = 418 and R = 0.0442. A 2D layer structure is formed via the cation-cation π…π and C-H…π interactions observed in the solid state of the complex.展开更多
NMR spectroscopy analysis was introduced to investigate the weak interaction of four 5'—mononucleotides with tryptamide and leucinamide. Assuming a 1∶1 complex formation, the association constants were determine...NMR spectroscopy analysis was introduced to investigate the weak interaction of four 5'—mononucleotides with tryptamide and leucinamide. Assuming a 1∶1 complex formation, the association constants were determined by nonlinear regression analysis. The association affinity of 4 mononucleotides with tryptamide decreased in the order: G>A>C>U, indicating that purine bases stack more strongly with tryptamide than pyrimidine bases. But with leucinamide the affinity decreases in the order: G>C>A=U, suggesting an amino acid—anticodonic preferential interaction. The implication of the present data to the origin of genetic code was briefly discussed.展开更多
Traditionally, in weak interaction, I<sub>3</sub>, Y and four flavour quantum numbers are not conserved but several empirical selection rules work well. Recently, it was found that, in weak interaction, th...Traditionally, in weak interaction, I<sub>3</sub>, Y and four flavour quantum numbers are not conserved but several empirical selection rules work well. Recently, it was found that, in weak interaction, there are three levels of conservation of additive quantum numbers, and fermion quantum number F is conserved in all kinds of interactions. It is known that weak interaction has three types: fermionic, pure hadronic and pure leptonic, corresponding to the first and the second level of conservation of additive quantum numbers respectively. It is demonstrated in this paper that the selection rules in all types of weak interaction can be interpreted by conservation of F, and the formula of relation between Q/e, F and F<sub>0</sub> is more general than Gell-Mann-Nishijima formula. Description of weak interaction becomes simpler, If only we take Q, F<sub>0</sub> and F, based on the conserved physical quantities.展开更多
The geometries of van der Waals complex CO 2...CO were optimized at DFT and second order Moller Plesset perturbation(MP2) levels with the large basis set, three stable structures were found. The most stable structu...The geometries of van der Waals complex CO 2...CO were optimized at DFT and second order Moller Plesset perturbation(MP2) levels with the large basis set, three stable structures were found. The most stable structure has a T shape geometry in which the CO lies along the C 2 axis of CO 2, with the two C atoms direct contact and R (C...C)=0 3227 nm. The corresponding energies of the most stable structure were calculated by means of MP2, MP4D, MP4DQ, MP4SDTQ, MP4SDQ, CCSD and CCSD(T) methods. The BSSE(basis set superposition error) was eliminated by the Boys Bernardi counterpoise correction(CP) method. According to thermodynamics data, van der Waals complex CO 2...CO can be found at a low temperature and/or a high pressure. There is a little charge transferred between the two interacted subunits. In the most stable structure, CO 2 is the acceptor and CO is the donor.展开更多
The cell membrane is a vital barrier that protects the cell from external damage and is involved in many biochemical processes.Thus,it is of great significance to label the cell membrane to explore its function.Howeve...The cell membrane is a vital barrier that protects the cell from external damage and is involved in many biochemical processes.Thus,it is of great significance to label the cell membrane to explore its function.However,due to its complex and dynamic nature,precise and firm cell membrane labeling simultaneously is still a challenge.Herein,we report the fabrication of a peptide-conjugated aggregationinduced emission fluorogen(AIEgen),RTP,consisting of three main components:(1)An integrin-targeting peptide(RGD,R),which could bind specifically to integrinαvβ3 on cell membranes through ligand–receptor interaction.(2)An AIE-active tetraphenylethene derivative(T-MY,T)for fluorescent imaging.(3)Palmitic acid-modified peptide(Pal-RRRR,P),in which Pal isinserted into the lipid on the cellmembrane by hydrophobic interaction,and RRRR interacted with the negatively charged cell membrane components(proteins and lipids)through electrostatic forces.RTP could precisely label tumor cells with high integrinαvβ3 expression andfirmly trace the cellmembrane for up to 4 h;it also has a strong resistance to photobleaching.Moreover,RTP achieved in vivo tumor-specific imaging via cell membrane labeling.Thereby,utilizing multiple weak interactions between the fluorescent probe and the cell membrane provided a new strategy for precise and firm imaging of the cell membrane simultaneously.展开更多
Two new coordination polymers [ZnLI2]∞ （1） and [CdLI2]∞ （2） （L： 3,6-di-（1,2,4-triazole-l-yl）-N-hexylcarbazole） were syn- thesized and their crystal structures were determined by single-crystal X-ray diffrac...Two new coordination polymers [ZnLI2]∞ （1） and [CdLI2]∞ （2） （L： 3,6-di-（1,2,4-triazole-l-yl）-N-hexylcarbazole） were syn- thesized and their crystal structures were determined by single-crystal X-ray diffraction techniques. Complexes are both constructed with the helical chains along the 2l screw axis. The coordination bond, C-H...I weak interactions and π-π interactions play significant roles in constructing their 3D or 2D frameworks. Two different DFT calculations are performed for the weak interactions between the helical chains of the three different coordination polymers （[ZnLI2]∞[CdLI2]∞, and the reported [HgLI2]∞）. The results reveal that weak interactions play important roles in these supramolecular systems of helical configuration, namely, the trend is the shorter H…I distance and π-π stacking distance, the stronger the intermolecular interactions. The photoluminescence of the complexes measured in the solid state at room temperature indicates that the emission intensity varies extensively, which can be rationalized by the heavy atom effect. helical configuration, weak interactions, DFT calculations, photoluminescence展开更多
Weak intermolecular interactions in aniline-pyrrole dimer clusters have been studied by the dispersion-corrected density functional theory(DFT) calculations. Two distinct types of hydrogen bonds are demonstrated with ...Weak intermolecular interactions in aniline-pyrrole dimer clusters have been studied by the dispersion-corrected density functional theory(DFT) calculations. Two distinct types of hydrogen bonds are demonstrated with optimized geometric structures and largest interaction energy moduli. Comprehensive spectroscopic analysis is also addressed revealing the orientation-dependent interactions by noting the altered red-shifts of the infrared and Raman activities. Then we employ natural bond orbital(NBO)analysis and atom in molecules(AIM) theory to have determined the origin and relative energetic contributions of the weak interactions in these systems. NBO and AIM calculations confirm the V-shaped dimer cluster is dominated by N.H···N and C.H···π hydrogen bonds, while the J-aggregated isomer is stabilized by N.H···π, n→π* and weak π···π* stacking interactions.The noncovalent interactions are also demonstrated via energy decomposition analysis associated with electrostatic and dispersion contributions.展开更多
The theoretic renormalization group approach is applied to the study of short-time critical behavior of the Ginzburg–Landau model with weakly long-range interactions . The system initially at a high temperature is fi...The theoretic renormalization group approach is applied to the study of short-time critical behavior of the Ginzburg–Landau model with weakly long-range interactions . The system initially at a high temperature is firstly quenched to the critical temperature and then released to an evolution with a model A dynamics. A double expansion in and with of order is employed, where is the spatial dimension. The asymptotic scaling laws and the initial slip exponents and for the order parameter and the response function respectively are calculated to the second order in for close to 2.展开更多
In this paper we study the interaction of strong and weak singularities for hyperbolic system of conservation laws in multidimensional space. Under the assumption of transversal intersect of the shock front with the b...In this paper we study the interaction of strong and weak singularities for hyperbolic system of conservation laws in multidimensional space. Under the assumption of transversal intersect of the shock front with the bicharacteristics bearing weak singularities we proved a theorem on regularity propagation across the shock front.展开更多
The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and...The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.展开更多
Three Clifford algebras are sufficient to describe all interactions of modern physics: The Clifford algebra of the usual space is enough to describe all aspects of electromagnetism, including the quantum wave of the e...Three Clifford algebras are sufficient to describe all interactions of modern physics: The Clifford algebra of the usual space is enough to describe all aspects of electromagnetism, including the quantum wave of the electron. The Clifford algebra of space-time is enough for electro-weak interactions. To get the gauge group of the standard model, with electro-weak and strong interactions, a third algebra is sufficient, with only two more dimensions of space. The Clifford algebra of space allows us to include also gravitation. We discuss the advantages of our approach.展开更多
A new complex [Ni（phen）（mal）（H2O）2]·3H2O （phen = 1,10-phenanthroline, real^2- = malonic acid） has been synthesized by the reaction of nickel nitrate, phen and malonic acid. EA, IR spectra and X-ray single...A new complex [Ni（phen）（mal）（H2O）2]·3H2O （phen = 1,10-phenanthroline, real^2- = malonic acid） has been synthesized by the reaction of nickel nitrate, phen and malonic acid. EA, IR spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure of the title complex. Crystal data： monoclinic system, space group P2/c,α = 8.937（3）, b = 12.163（5）, c = 9.725（3） A,β = 119.36°, C15H19N2O9Ni,Mr= 430.03, Z = 2, F（000） = 446, V= 921.3 A3, Dc = 1.550 g/cm^3, μ= 1.104 mm^-1, -10≤h≤10, -12≤k≤ 14, -11≤1≤7, R = 0.0261 and wR = 0.0609 for 4376 （Rint = 0.0203） independent reflections and 1631 observed ones （I 〉 2σ（I））. Ni（Ⅱ） exhibits an octahedral coordination geometry, with hydrogen bonds and π-π interactions stabilizing the whole structure. UV spectrum of the complex interacting with protamine DNA indicates that the title compound interacts with DNA via insertion mode with bonding constant Kb of 1. 11 × 10^4.展开更多
Due to the weak interlayer interactions,the binary Ⅲ-Ⅵ chalcogenides Ga Se can exist in several distinct polymorphs.Among them,the so-called β-and ε-phases simultaneously exhibit favorable total energies and moder...Due to the weak interlayer interactions,the binary Ⅲ-Ⅵ chalcogenides Ga Se can exist in several distinct polymorphs.Among them,the so-called β-and ε-phases simultaneously exhibit favorable total energies and moderate band gaps,which offer a good platform to explore their thermoelectric properties.Here,we demonstrate by first-principles calculations that the two systems have very similar band structures and phonon dispersions,despite different stacking sequences between adjacent layers.Interestingly,the lattice thermal conductivity of ε-GaSe is obviously lower than that of β-GaSe,which is inherently tied to stronger lattice anharmonicity caused by bonding heterogeneity.Besides,both systems exhibit higher p-type power factors due to doubly degenerate bands with weaker dispersions around the valence band maximum.As a consequence,a significantly enhanced p-type figure-of-merit of 2.1 can be realized at 700 K along the out-of-plane direction of theε-phase.展开更多
The weak interlayer van der Waals(vdW) interactions in two-dimensional(2D) vdW materials enable sliding ferroelectricity as an effective strategy for modulating their intrinsic properties. In this work, we systematica...The weak interlayer van der Waals(vdW) interactions in two-dimensional(2D) vdW materials enable sliding ferroelectricity as an effective strategy for modulating their intrinsic properties. In this work, we systematically investigate the influence of interlayer sliding on the electronic behavior of PtSe_(2) using density functional theory(DFT) calculations. Our results demonstrate that interlayer sliding induces a pronounced photocurrent spanning the short-wavelength infrared to visible spectral ranges. Remarkably, under an applied gate voltage, the sliding ferroelectric PtSe_(2) exhibits anomalously enhanced photovoltaic performance and an ultrahigh extinction ratio.Transmission spectral analysis reveals that this phenomenon originates from band structure modifications driven by energy-level transitions. Furthermore, the observed photocurrent enhancement via sliding ferroelectricity demonstrates universality across diverse platinum-based optoelectronic devices. This study introduces a novel paradigm for tailoring the intrinsic characteristics of 2D vdW semiconductors, expanding the design space for next-generation ferroelectric materials in advanced optoelectronic applications.展开更多
For the unification of gravitation with electromagnetism, weak and strong interactions, we use a unique and very simple framework, the Clifford algebra of space . We enlarge our previous wave equation to the general c...For the unification of gravitation with electromagnetism, weak and strong interactions, we use a unique and very simple framework, the Clifford algebra of space . We enlarge our previous wave equation to the general case, including all leptons, quarks and antiparticles of the first generation. The wave equation is a generalization of the Dirac equation with a compulsory non-linear mass term. This equation is form invariant under the group of the invertible elements in the space algebra. The form invariance is fully compatible with the gauge invariance of the standard model. The wave equations of the different particles come by Lagrange equations from a Lagrangian density and this Lagrangian density is the sum of the real parts of the wave equations. Both form invariance and gauge invariance are exact symmetries, not only partial or broken symmetries. Inertia is already present in the part of the gauge group and the inertial chiral potential vector simplifies weak interactions. Relativistic quantum physics is then a naturally yet unified theory, including all interactions.展开更多
The pictures from the James Webb Space Telescope (JWST) suggest that massive galaxies were already at the beginning of the expansion of the Universe because there was too short time to create them. It is consistent wi...The pictures from the James Webb Space Telescope (JWST) suggest that massive galaxies were already at the beginning of the expansion of the Universe because there was too short time to create them. It is consistent with the new cosmology presented within the Scale-Symmetric Theory (SST). The phase transitions of the initial inflation field described in SST lead to the Protoworld—its core was built of dark matter (DM). We show that the DAMA/LIBRA annual-modulation amplitude forced by the change of the Earth’s velocity (i.e. baryonic-matter (BM) velocity) in relation to the spinning DM field in our Galaxy’s halo should be very low. We calculated that in the DM-BM weak interactions are created single and entangled spacetime condensates with a lowest mass/energy of 0.807 keV—as the Higgs boson they can decay to two photons, so we can indirectly detect DM. Our results are consistent with the averaged DAMA/LIBRA/COSINE-100 curve describing the dependence of the event rate on the photon energy in single-hit events. We calculated the mean dark-matter-halo (DMH) mass around quasars, we also described the origin of the plateaux in the rotation curves for the massive spiral galaxies, the role of DM-loops in magnetars, the origin of CMB, the AGN-jet and galactic-halo production, and properties of dark energy (DE).展开更多
基金Supported by the Natural Science Foundation of Fujian Province (E0710008)Innovation Fund for Young Scientist of Fujian Province (2007F3049)Fund of Education Committee of Fujian Province (JA07018)
文摘A new 3-D hybrid framework {[（dafone）PbI2]（dafone）2}n 1 （dafone = 4,5-diazafluoren-9-one） has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2/c with a = 24.109（8）, b = 16.596（8）, c = 7.983（3）A, β = 91.590（15）°, V = 3193（2）A^3, Z = 4, C33H18I2N6O3Pb, Mr = 1007.53, Dc = 2.096 g/cm^3, F（000） = 1880, μ（MoKα） = 7.262 mm^-1, the final R = 0.0352 and wR = 0.0951 for 3198 observed reflections with I 〉 2σ（I）. In the [（dafone）PbI2]n chain, the Pb center adopts a distorted octahedral coordination geometry and shares an edge to give a one-dimensional polymer. The 3-D arrangement of 1 constructs from H-bonds among dafone molecules and π-π stacking interactions among dissociative dafone molecules. These weak interactions contribute to the stability of the title compound. DFT calculation was carried out to reveal its electronic structure.
基金Supported by the NNSFC (21071025,91122031, 21107008)Doctoral Fund of Ministry of Education of China (20100041120021)the Fundamental Research Funds for the Central Universities (DUT12YQ04)
文摘The assembly reactions of o- （or m-, or p-） tetrafluorobenzenedicarboxylic acid （denoted as o-H2L, m-H2L and p-HzL, respectively）, benzonitrile and Ag＋ ion led to three compounds： [Ag2（PhCN）2（o-HL）2]n （1）, [Ag2（PhCN）2（m-HL）2]n （2） and [Ag2（PhCN）2（p-L）], （3）. 1 and 2 feature a 1D coordination chain, while 3 bears a 2D net structure. A variety of weak interactions are observed in the compounds. Strong nwrinteractions connect the 1D chains into a 3D supramolecular network in 1. Hydrogen bonds connect the chains into layers in 2. Three types of interesting π-π interactions also assemble the 2D layers into a 3D overall structure in 3.
基金financially supported by the National Natural Science Foundation of China(Nos.21334001 and 21574025)
文摘The complexation between circular DNA and individual chains of PEO-b-P4VP with a relatively long PEO block and a short P4VP block is highly controllable when the interaction between DNA and the polymer is weak enough. When one circular DNA chain is taken into consideration, and the polymer concentration is far below its critical micelle concentration （CMC）, polymer chains are absorbed by DNA chain due to the interaction between the negatively charged DNA chain and the slightly positively charged P4VP block chains. After the adsorption/complexation, the DNA chain is converted into a nanoring （type 1）. In the nanoring, the DNA chain is sufficiently wrapped by the polymer and adopts a fully stretched conformation, so that the DNA compact ratio in the nanorings is close to 1. When the polymer concentration is close to but lower than the CMC, the free polymer chains in the solution are adsorbed not only by the DNA chain but also by the polymer chains that have already been adsorbed on the DNA chain. As a result, the circular DNA chain adsorbs more polymer chains, and thus the resultant nanoring （type 2） has a larger width. In the type 2 nanoring, the DNA chain is slightly compressed; the DNA compact ratio is only about 2-3. Therefore, complexation induced by the weak interaction between DNA and PEO-b-P4VP below the CMC can produce narrow-disperse and large nanorings with a perimeter of micrometers, which are difficult to prepare by existing methods.
文摘The mononuclear complex [Ag(C6H6NCl)2](ClO() has been prepared and structurally analyzed by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group C2/c with unit cell parameters: a=15.5314(2), b=8.0247(8), c=15.3701(2)?.β=118.832(2)°, V=1678.2(3)?3, Z=4, Mr=462.46, Dc=1.830Mg/m3, F(000)=912, μ(MoKα) = 1.694cm-1. The final R and wR are 0.0472 and 0.1272 for 1484 observed reflections with I≥3σ(I). The Ag atom is coordinated by two nitrogen atoms of 4-chloromethyl-pyridine in a linear coordination geometry. Each molecule is further linked by the weak interaction between the Cl and Ag atoms to form a one-dimensional chain structure with Ag－Cl distance of 3.240?.
基金the President's Science Foundation of South China Agricultural University (No. 2005K092)
文摘A new ion-pair complex, [BzMeQ1]2[Ni（nmt）2]1（[BzMeQ1]^＋ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate） has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction methods. Complex 1 is of triclinic, space group PI, with a = 9.079（2）, b = 10.154（2）, c = 11.243（2）A, α= 81.58（1）, β= 69.63（1）, γ = 68.02（1）°, V= 940.1（3）A3, Dc = 1.427 g/cm^3, Z = 1, F（000） = 418 and R = 0.0442. A 2D layer structure is formed via the cation-cation π…π and C-H…π interactions observed in the solid state of the complex.
文摘NMR spectroscopy analysis was introduced to investigate the weak interaction of four 5'—mononucleotides with tryptamide and leucinamide. Assuming a 1∶1 complex formation, the association constants were determined by nonlinear regression analysis. The association affinity of 4 mononucleotides with tryptamide decreased in the order: G>A>C>U, indicating that purine bases stack more strongly with tryptamide than pyrimidine bases. But with leucinamide the affinity decreases in the order: G>C>A=U, suggesting an amino acid—anticodonic preferential interaction. The implication of the present data to the origin of genetic code was briefly discussed.
文摘Traditionally, in weak interaction, I<sub>3</sub>, Y and four flavour quantum numbers are not conserved but several empirical selection rules work well. Recently, it was found that, in weak interaction, there are three levels of conservation of additive quantum numbers, and fermion quantum number F is conserved in all kinds of interactions. It is known that weak interaction has three types: fermionic, pure hadronic and pure leptonic, corresponding to the first and the second level of conservation of additive quantum numbers respectively. It is demonstrated in this paper that the selection rules in all types of weak interaction can be interpreted by conservation of F, and the formula of relation between Q/e, F and F<sub>0</sub> is more general than Gell-Mann-Nishijima formula. Description of weak interaction becomes simpler, If only we take Q, F<sub>0</sub> and F, based on the conserved physical quantities.
基金Supported by the National Natural Science Foundation of China(No.2 99730 2 2 ) the Foundation for Key Teachers inuniversity of State Ministry of Education of China and the Natural Science Foundation of Shandong Province.
文摘The geometries of van der Waals complex CO 2...CO were optimized at DFT and second order Moller Plesset perturbation(MP2) levels with the large basis set, three stable structures were found. The most stable structure has a T shape geometry in which the CO lies along the C 2 axis of CO 2, with the two C atoms direct contact and R (C...C)=0 3227 nm. The corresponding energies of the most stable structure were calculated by means of MP2, MP4D, MP4DQ, MP4SDTQ, MP4SDQ, CCSD and CCSD(T) methods. The BSSE(basis set superposition error) was eliminated by the Boys Bernardi counterpoise correction(CP) method. According to thermodynamics data, van der Waals complex CO 2...CO can be found at a low temperature and/or a high pressure. There is a little charge transferred between the two interacted subunits. In the most stable structure, CO 2 is the acceptor and CO is the donor.
基金support by the National Key R&D Program of China(no.2020YFA0211200)the National Natural Science Foundation of China(nos.22090050,21974128,21874121,and 52003257)the Hubei Provincial Natural Science Foundation of China(nos.2019CFA043 and 2020CFA037).
文摘The cell membrane is a vital barrier that protects the cell from external damage and is involved in many biochemical processes.Thus,it is of great significance to label the cell membrane to explore its function.However,due to its complex and dynamic nature,precise and firm cell membrane labeling simultaneously is still a challenge.Herein,we report the fabrication of a peptide-conjugated aggregationinduced emission fluorogen(AIEgen),RTP,consisting of three main components:(1)An integrin-targeting peptide(RGD,R),which could bind specifically to integrinαvβ3 on cell membranes through ligand–receptor interaction.(2)An AIE-active tetraphenylethene derivative(T-MY,T)for fluorescent imaging.(3)Palmitic acid-modified peptide(Pal-RRRR,P),in which Pal isinserted into the lipid on the cellmembrane by hydrophobic interaction,and RRRR interacted with the negatively charged cell membrane components(proteins and lipids)through electrostatic forces.RTP could precisely label tumor cells with high integrinαvβ3 expression andfirmly trace the cellmembrane for up to 4 h;it also has a strong resistance to photobleaching.Moreover,RTP achieved in vivo tumor-specific imaging via cell membrane labeling.Thereby,utilizing multiple weak interactions between the fluorescent probe and the cell membrane provided a new strategy for precise and firm imaging of the cell membrane simultaneously.
基金supported by the National Natural Science Foundation of China (20771001, 50703001, 21071001)Education Committee of Anhui Province (KJ2009A52, KJ2010A30)+2 种基金the Team for Scientific Innovation Foundation of Anhui Province (2006KJ007TD)Ministry of Education and Person with Ability Foundation of Anhui University, Science and Techno- logical Fund of Anhui Province for Outstanding Youth (10040606Y22)the 211 Project of Anhui University
文摘Two new coordination polymers [ZnLI2]∞ （1） and [CdLI2]∞ （2） （L： 3,6-di-（1,2,4-triazole-l-yl）-N-hexylcarbazole） were syn- thesized and their crystal structures were determined by single-crystal X-ray diffraction techniques. Complexes are both constructed with the helical chains along the 2l screw axis. The coordination bond, C-H...I weak interactions and π-π interactions play significant roles in constructing their 3D or 2D frameworks. Two different DFT calculations are performed for the weak interactions between the helical chains of the three different coordination polymers （[ZnLI2]∞[CdLI2]∞, and the reported [HgLI2]∞）. The results reveal that weak interactions play important roles in these supramolecular systems of helical configuration, namely, the trend is the shorter H…I distance and π-π stacking distance, the stronger the intermolecular interactions. The photoluminescence of the complexes measured in the solid state at room temperature indicates that the emission intensity varies extensively, which can be rationalized by the heavy atom effect. helical configuration, weak interactions, DFT calculations, photoluminescence
基金supported by the National Project“Development of Advanced Scientific Instruments Based on Deep Ultraviolet Laser Source”(Y31M0112C1)the National Basic Research Program of China(2011CB808402)Z.Luo acknowledges the Young Professionals Programme in Institute of Chemistry,Chinese Academy of Sciences(ICCAS-Y3297B1261)
文摘Weak intermolecular interactions in aniline-pyrrole dimer clusters have been studied by the dispersion-corrected density functional theory(DFT) calculations. Two distinct types of hydrogen bonds are demonstrated with optimized geometric structures and largest interaction energy moduli. Comprehensive spectroscopic analysis is also addressed revealing the orientation-dependent interactions by noting the altered red-shifts of the infrared and Raman activities. Then we employ natural bond orbital(NBO)analysis and atom in molecules(AIM) theory to have determined the origin and relative energetic contributions of the weak interactions in these systems. NBO and AIM calculations confirm the V-shaped dimer cluster is dominated by N.H···N and C.H···π hydrogen bonds, while the J-aggregated isomer is stabilized by N.H···π, n→π* and weak π···π* stacking interactions.The noncovalent interactions are also demonstrated via energy decomposition analysis associated with electrostatic and dispersion contributions.
文摘The theoretic renormalization group approach is applied to the study of short-time critical behavior of the Ginzburg–Landau model with weakly long-range interactions . The system initially at a high temperature is firstly quenched to the critical temperature and then released to an evolution with a model A dynamics. A double expansion in and with of order is employed, where is the spatial dimension. The asymptotic scaling laws and the initial slip exponents and for the order parameter and the response function respectively are calculated to the second order in for close to 2.
文摘In this paper we study the interaction of strong and weak singularities for hyperbolic system of conservation laws in multidimensional space. Under the assumption of transversal intersect of the shock front with the bicharacteristics bearing weak singularities we proved a theorem on regularity propagation across the shock front.
文摘The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2.
文摘Three Clifford algebras are sufficient to describe all interactions of modern physics: The Clifford algebra of the usual space is enough to describe all aspects of electromagnetism, including the quantum wave of the electron. The Clifford algebra of space-time is enough for electro-weak interactions. To get the gauge group of the standard model, with electro-weak and strong interactions, a third algebra is sufficient, with only two more dimensions of space. The Clifford algebra of space allows us to include also gravitation. We discuss the advantages of our approach.
基金Project was supported by the Natural Science Foundation of China (20671064), Natural Science Foundation of Liaoning Province (20052014) and the Ph. D. Programs Foundation of China
文摘A new complex [Ni（phen）（mal）（H2O）2]·3H2O （phen = 1,10-phenanthroline, real^2- = malonic acid） has been synthesized by the reaction of nickel nitrate, phen and malonic acid. EA, IR spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure of the title complex. Crystal data： monoclinic system, space group P2/c,α = 8.937（3）, b = 12.163（5）, c = 9.725（3） A,β = 119.36°, C15H19N2O9Ni,Mr= 430.03, Z = 2, F（000） = 446, V= 921.3 A3, Dc = 1.550 g/cm^3, μ= 1.104 mm^-1, -10≤h≤10, -12≤k≤ 14, -11≤1≤7, R = 0.0261 and wR = 0.0609 for 4376 （Rint = 0.0203） independent reflections and 1631 observed ones （I 〉 2σ（I））. Ni（Ⅱ） exhibits an octahedral coordination geometry, with hydrogen bonds and π-π interactions stabilizing the whole structure. UV spectrum of the complex interacting with protamine DNA indicates that the title compound interacts with DNA via insertion mode with bonding constant Kb of 1. 11 × 10^4.
基金supported by the National Natural Science Foundation of China(Grant Nos.62074114 and 12474019)。
文摘Due to the weak interlayer interactions,the binary Ⅲ-Ⅵ chalcogenides Ga Se can exist in several distinct polymorphs.Among them,the so-called β-and ε-phases simultaneously exhibit favorable total energies and moderate band gaps,which offer a good platform to explore their thermoelectric properties.Here,we demonstrate by first-principles calculations that the two systems have very similar band structures and phonon dispersions,despite different stacking sequences between adjacent layers.Interestingly,the lattice thermal conductivity of ε-GaSe is obviously lower than that of β-GaSe,which is inherently tied to stronger lattice anharmonicity caused by bonding heterogeneity.Besides,both systems exhibit higher p-type power factors due to doubly degenerate bands with weaker dispersions around the valence band maximum.As a consequence,a significantly enhanced p-type figure-of-merit of 2.1 can be realized at 700 K along the out-of-plane direction of theε-phase.
基金supported by the National Key Research and Development Program of China (Grant No. 2024YFB3211701)the National Natural Science Foundation of China (Grant Nos. T2222011, 62174026, and 12274234)+1 种基金the National Key Research and Development Program of China (Grant Nos. 2023YFB3611400 and 2019YFA0308000)the Fundamental Research Funds for the Central Universities (Grant No. 242023k30027)。
文摘The weak interlayer van der Waals(vdW) interactions in two-dimensional(2D) vdW materials enable sliding ferroelectricity as an effective strategy for modulating their intrinsic properties. In this work, we systematically investigate the influence of interlayer sliding on the electronic behavior of PtSe_(2) using density functional theory(DFT) calculations. Our results demonstrate that interlayer sliding induces a pronounced photocurrent spanning the short-wavelength infrared to visible spectral ranges. Remarkably, under an applied gate voltage, the sliding ferroelectric PtSe_(2) exhibits anomalously enhanced photovoltaic performance and an ultrahigh extinction ratio.Transmission spectral analysis reveals that this phenomenon originates from band structure modifications driven by energy-level transitions. Furthermore, the observed photocurrent enhancement via sliding ferroelectricity demonstrates universality across diverse platinum-based optoelectronic devices. This study introduces a novel paradigm for tailoring the intrinsic characteristics of 2D vdW semiconductors, expanding the design space for next-generation ferroelectric materials in advanced optoelectronic applications.
文摘For the unification of gravitation with electromagnetism, weak and strong interactions, we use a unique and very simple framework, the Clifford algebra of space . We enlarge our previous wave equation to the general case, including all leptons, quarks and antiparticles of the first generation. The wave equation is a generalization of the Dirac equation with a compulsory non-linear mass term. This equation is form invariant under the group of the invertible elements in the space algebra. The form invariance is fully compatible with the gauge invariance of the standard model. The wave equations of the different particles come by Lagrange equations from a Lagrangian density and this Lagrangian density is the sum of the real parts of the wave equations. Both form invariance and gauge invariance are exact symmetries, not only partial or broken symmetries. Inertia is already present in the part of the gauge group and the inertial chiral potential vector simplifies weak interactions. Relativistic quantum physics is then a naturally yet unified theory, including all interactions.
文摘The pictures from the James Webb Space Telescope (JWST) suggest that massive galaxies were already at the beginning of the expansion of the Universe because there was too short time to create them. It is consistent with the new cosmology presented within the Scale-Symmetric Theory (SST). The phase transitions of the initial inflation field described in SST lead to the Protoworld—its core was built of dark matter (DM). We show that the DAMA/LIBRA annual-modulation amplitude forced by the change of the Earth’s velocity (i.e. baryonic-matter (BM) velocity) in relation to the spinning DM field in our Galaxy’s halo should be very low. We calculated that in the DM-BM weak interactions are created single and entangled spacetime condensates with a lowest mass/energy of 0.807 keV—as the Higgs boson they can decay to two photons, so we can indirectly detect DM. Our results are consistent with the averaged DAMA/LIBRA/COSINE-100 curve describing the dependence of the event rate on the photon energy in single-hit events. We calculated the mean dark-matter-halo (DMH) mass around quasars, we also described the origin of the plateaux in the rotation curves for the massive spiral galaxies, the role of DM-loops in magnetars, the origin of CMB, the AGN-jet and galactic-halo production, and properties of dark energy (DE).
